Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1R | P00736 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 4/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | JUN | P05412 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | XPO1 | O14980 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23040982 | 1.00 | C1R (0.41) | C1RKDM4EPARP1F7F3 | |
| SCHEMBL2531193 | 0.83 | C1R (0.43) | C1RKDM4EPARP1F7F3 | |
| SCHEMBL29909108 | 0.83 | C1R (0.43) | C1RKDM4EPARP1F7F3 | |
| SCHEMBL21325825 | 0.80 | ALDH1A1 (0.51) | KDM4EPARP1F7F3APP | |
| SCHEMBL28710939 | 0.79 | KDM4E (0.58) | C1RKDM4EAPPLMNAKIF11 | |
| SCHEMBL11985936 | 0.79 | PDE2A (0.43) | C1RKDM4EPARP1F7F3 | |
| SCHEMBL14843701 | 0.77 | MPO (0.54) | KDM4ELMNAPOLBMPO | |
| SCHEMBL1459554 | 0.77 | SCN10A (0.39) | C1RKDM4EPARP1F7F3 | |
| SCHEMBL900362 | 0.77 | MAPT (0.51) | C1RKDM4EPARP1F7F3 | |
| SCHEMBL1459549 | 0.76 | PDE2A (0.44) | C1RAPPPDE2AHTTNLRP3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114502538-A | Substituted 3, 4-dihydroquinazolines for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2022-05-13 | — | — | CN | disclosed |